ms=""; 
ms=ms+
"<?xml version=\"1.0\" encoding=\"ISO-8859-1\"?>\n"+
"<list dictRef=\"cdk:model\" xmlns=\"http://www.xml-cml.org/schema\">\n"+
  "<spectrum id=\"massbank:PB000123\" moleculeRef=\"CHEBI:50202\" type=\"MS2\" xmlns:macie=\"http://www.xml-cml.org/dict/macie\" xmlns:siUnits=\"http://www.xml-cml.org/units/siUnits\" xmlns:ms=\"http://www.massbank.jp/dict\" xmlns:subst=\"http://www.xml-cml.org/dict/substDict\" xmlns:cmlDict=\"http://www.xml-cml.org/dict/cmlDict\" xmlns:cml=\"http://www.xml-cml.org/dict/cml\" xmlns:units=\"http://www.xml-cml.org/units/units\">\n"+
    "<conditionList>\n"+
      "<scalar dataType=\"xsd:string\" dictRef=\"cml:collisionenergy\" units=\"siUnits:eV\">25</scalar>\n"+
      "<scalar dataType=\"xsd:string\" dictRef=\"cml:polarity\">positive</scalar>\n"+
    "</conditionList>\n"+
    "<metadataList>\n"+
      "<metadata name=\"ms:assignmentMethod\" content=\"Manual\"/>\n"+
    "</metadataList>\n"+
    "<substanceList>\n"+
      "<substance role=\"subst:solvent\" title=\"brauchenwirnicht\"/>\n"+
    "</substanceList>\n"+
    "<peakList>\n"+
      "<peak xValue=\"91.054\"  xUnits=\"units:mz\" yValue=\"91.054\"  yUnits=\"units:cps\" id=\"p0\"                   />\n"+
      "<peak xValue=\"119.051\" xUnits=\"units:mz\" yValue=\"119.051\" yUnits=\"units:cps\" id=\"p1\"  moleculeRefs=\"m7\"/>\n"+
      "<peak xValue=\"123.044\" xUnits=\"units:mz\" yValue=\"123.044\" yUnits=\"units:cps\" id=\"p2\"                   />\n"+
      "<peak xValue=\"147.044\" xUnits=\"units:mz\" yValue=\"147.044\" yUnits=\"units:cps\" id=\"p3\"  moleculeRefs=\"m6\"/>\n"+
      "<peak xValue=\"148.048\" xUnits=\"units:mz\" yValue=\"148.048\" yUnits=\"units:cps\" id=\"p4\"                   />\n"+
      "<peak xValue=\"151.039\" xUnits=\"units:mz\" yValue=\"151.039\" yUnits=\"units:cps\" id=\"p5\"                   />\n"+
      "<peak xValue=\"153.018\" xUnits=\"units:mz\" yValue=\"153.018\" yUnits=\"units:cps\" id=\"p6\"  moleculeRefs=\"m5\"/>\n"+
      "<peak xValue=\"154.023\" xUnits=\"units:mz\" yValue=\"154.023\" yUnits=\"units:cps\" id=\"p7\"                   />\n"+
      "<peak xValue=\"179.036\" xUnits=\"units:mz\" yValue=\"179.036\" yUnits=\"units:cps\" id=\"p8\"  moleculeRefs=\"m4\"/>\n"+
      "<peak xValue=\"189.058\" xUnits=\"units:mz\" yValue=\"189.058\" yUnits=\"units:cps\" id=\"p9\"  moleculeRefs=\"m3\"/>\n"+
      "<peak xValue=\"255.067\" xUnits=\"units:mz\" yValue=\"255.067\" yUnits=\"units:cps\" id=\"p10\"                  />\n"+
      "<peak xValue=\"273.076\" xUnits=\"units:mz\" yValue=\"273.076\" yUnits=\"units:cps\" id=\"p11\" moleculeRefs=\"m1\"/>\n"+
      "<peak xValue=\"274.081\" xUnits=\"units:mz\" yValue=\"274.081\" yUnits=\"units:cps\" id=\"p12\"                  />\n"+
    "</peakList>\n"+
  "</spectrum>\n"+
  "<reactionList>\n"+
    "<reaction id=\"reaction-1232986253168\">\n"+
      "<reactantList>\n"+
        "<reactant>\n"+
          "<cml:molecule id=\"m1\" xmlns:cml=\"http://www.xml-cml.org/schema\">\n"+
            "<atomArray>\n"+
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            "</bondArray>\n"+
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        "</reactant>\n"+
      "</reactantList>\n"+
      "<productList>\n"+
        "<product>\n"+
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              "<cml:atom id=\"a65\" elementType=\"C\" x2=\"864.5376012410479\" y2=\"726.2122354909477\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a66\" elementType=\"C\" x2=\"927.0753027768675\" y2=\"726.2122354909477\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a67\" elementType=\"C\" x2=\"833.268800620524\" y2=\"708.1591766182107\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a68\" elementType=\"O\" x2=\"802.0\" y2=\"654.0\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n"+
              "<cml:atom id=\"a69\" elementType=\"C\" x2=\"927.0753027768675\" y2=\"762.318453531193\" formalCharge=\"1\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n"+
            "</atomArray>\n"+
            "<bondArray>\n"+
              "<cml:bond id=\"b70\" atomRefs2=\"a62 a61\" order=\"S\"/>\n"+
              "<cml:bond id=\"b71\" atomRefs2=\"a63 a61\" order=\"D\"/>\n"+
              "<cml:bond id=\"b72\" atomRefs2=\"a64 a62\" order=\"D\"/>\n"+
              "<cml:bond id=\"b73\" atomRefs2=\"a63 a65\" order=\"S\"/>\n"+
              "<cml:bond id=\"b74\" atomRefs2=\"a66 a63\" order=\"S\"/>\n"+
              "<cml:bond id=\"b75\" atomRefs2=\"a64 a67\" order=\"S\"/>\n"+
              "<cml:bond id=\"b76\" atomRefs2=\"a68 a64\" order=\"S\"/>\n"+
              "<cml:bond id=\"b77\" atomRefs2=\"a64 a67\" order=\"S\"/>\n"+
              "<cml:bond id=\"b78\" atomRefs2=\"a67 a65\" order=\"D\"/>\n"+
              "<cml:bond id=\"b79\" atomRefs2=\"a66 a69\" order=\"D\"/>\n"+
            "</bondArray>\n"+
          "</cml:molecule>\n"+
        "</product>\n"+
        "<product>\n"+
          "<cml:molecule id=\"m7\" xmlns:cml=\"http://www.xml-cml.org/schema\">\n"+
            "<atomArray>\n"+
              "<cml:atom id=\"a71\" elementType=\"C\" x2=\"707.904\" y2=\"738.069\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a72\" elementType=\"C\" x2=\"676.864\" y2=\"719.626\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a73\" elementType=\"C\" x2=\"707.454\" y2=\"774.174\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a74\" elementType=\"C\" x2=\"645.371\" y2=\"737.29\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a75\" elementType=\"C\" x2=\"675.96\" y2=\"791.833\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a76\" elementType=\"C\" x2=\"738.495\" y2=\"792.62\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a77\" elementType=\"C\" x2=\"644.9169999999999\" y2=\"773.39\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a78\" elementType=\"O\" x2=\"614.3340000000001\" y2=\"718.845\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n"+
              "<cml:atom id=\"a79\" elementType=\"C\" x2=\"738.039\" y2=\"828.719\" formalCharge=\"0\" hydrogenCount=\"2\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a80\" elementType=\"O\" x2=\"771.0\" y2=\"773.0\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"16\"/>\n"+
              "<cml:atom id=\"a81\" elementType=\"C\" x2=\"800.0\" y2=\"791.0\" formalCharge=\"0\" hydrogenCount=\"2\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a82\" elementType=\"C\" x2=\"826.0\" y2=\"772.0\" formalCharge=\"0\" hydrogenCount=\"2\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a83\" elementType=\"C\" x2=\"854.0\" y2=\"792.0\" formalCharge=\"1\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n"+
              "<cml:atom id=\"a84\" elementType=\"O\" x2=\"882.0\" y2=\"770.0\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"16\"/>\n"+
            "</atomArray>\n"+
            "<bondArray>\n"+
              "<cml:bond id=\"b81\" atomRefs2=\"a72 a71\" order=\"S\"/>\n"+
              "<cml:bond id=\"b82\" atomRefs2=\"a73 a71\" order=\"D\"/>\n"+
              "<cml:bond id=\"b83\" atomRefs2=\"a74 a72\" order=\"D\"/>\n"+
              "<cml:bond id=\"b84\" atomRefs2=\"a73 a75\" order=\"S\"/>\n"+
              "<cml:bond id=\"b85\" atomRefs2=\"a76 a73\" order=\"S\"/>\n"+
              "<cml:bond id=\"b86\" atomRefs2=\"a74 a77\" order=\"S\"/>\n"+
              "<cml:bond id=\"b87\" atomRefs2=\"a78 a74\" order=\"S\"/>\n"+
              "<cml:bond id=\"b88\" atomRefs2=\"a74 a77\" order=\"S\"/>\n"+
              "<cml:bond id=\"b89\" atomRefs2=\"a77 a75\" order=\"D\"/>\n"+
              "<cml:bond id=\"b90\" atomRefs2=\"a76 a79\" order=\"D\"/>\n"+
              "<cml:bond id=\"b91\" atomRefs2=\"a76 a80\" order=\"S\"/>\n"+
              "<cml:bond id=\"b92\" atomRefs2=\"a80 a81\" order=\"S\"/>\n"+
              "<cml:bond id=\"b93\" atomRefs2=\"a81 a82\" order=\"D\"/>\n"+
              "<cml:bond id=\"b94\" atomRefs2=\"a82 a83\" order=\"S\"/>\n"+
              "<cml:bond id=\"b95\" atomRefs2=\"a83 a84\" order=\"D\"/>\n"+
            "</bondArray>\n"+
          "</cml:molecule>\n"+
        "</product>\n"+
      "</productList>\n"+
      "<substanceList/>\n"+
    "</reaction>\n"+
  "</reactionList>\n"+
  "<list dictRef=\"cdk:moleculeSet\"/>\n"+
"</list>\n";





ms=ms+
        "<?xml version=\"1.0\" encoding=\"ISO-8859-1\"?>\n" + 
        "<list dictRef=\"cdk:model\" xmlns=\"http://www.xml-cml.org/schema\">\n" + 
        "  <spectrum id=\"massbank:PB000123\" moleculeRef=\"CHEBI:50202\" type=\"MS2\" xmlns:macie=\"http://www.xml-cml.org/dict/macie\" xmlns:siUnits=\"http://www.xml-cml.org/units/siUnits\" xmlns:ms=\"http://www.massbank.jp/dict\" xmlns:subst=\"http://www.xml-cml.org/dict/substDict\" xmlns:cmlDict=\"http://www.xml-cml.org/dict/cmlDict\" xmlns:cml=\"http://www.xml-cml.org/dict/cml\" xmlns:units=\"http://www.xml-cml.org/units/units\">\n" + 
        "    <conditionList>\n" + 
        "      <scalar dataType=\"xsd:string\" dictRef=\"cml:collisionenergy\" units=\"siUnits:eV\">25</scalar>\n" + 
        "      <scalar dataType=\"xsd:string\" dictRef=\"cml:polarity\">positive</scalar>\n" + 
        "    </conditionList>\n" + 
        "    <metadataList>\n" + 
        "      <metadata name=\"ms:assignmentMethod\" content=\"Manual\"/>\n" + 
        "    </metadataList>\n" + 
        "    <substanceList>\n" + 
        "      <substance role=\"subst:solvent\" title=\"brauchenwirnicht\"/>\n" + 
        "    </substanceList>\n" + 
        "    <peakList>\n" + 
        "      <peak xValue=\"91.054\"  xUnits=\"units:mz\" yValue=\"91.054\"  yUnits=\"units:cps\" id=\"p0\"                   />\n" + 
        "      <peak xValue=\"119.051\" xUnits=\"units:mz\" yValue=\"119.051\" yUnits=\"units:cps\" id=\"p1\"  moleculeRefs=\"m7\"/>\n" + 
        "      <peak xValue=\"123.044\" xUnits=\"units:mz\" yValue=\"123.044\" yUnits=\"units:cps\" id=\"p2\"                   />\n" + 
        "      <peak xValue=\"147.044\" xUnits=\"units:mz\" yValue=\"147.044\" yUnits=\"units:cps\" id=\"p3\"  moleculeRefs=\"m6\"/>\n" + 
        "      <peak xValue=\"148.048\" xUnits=\"units:mz\" yValue=\"148.048\" yUnits=\"units:cps\" id=\"p4\"                   />\n" + 
        "      <peak xValue=\"151.039\" xUnits=\"units:mz\" yValue=\"151.039\" yUnits=\"units:cps\" id=\"p5\"                   />\n" + 
        "      <peak xValue=\"153.018\" xUnits=\"units:mz\" yValue=\"153.018\" yUnits=\"units:cps\" id=\"p6\"  moleculeRefs=\"m5\"/>\n" + 
        "      <peak xValue=\"154.023\" xUnits=\"units:mz\" yValue=\"154.023\" yUnits=\"units:cps\" id=\"p7\"                   />\n" + 
        "      <peak xValue=\"179.036\" xUnits=\"units:mz\" yValue=\"179.036\" yUnits=\"units:cps\" id=\"p8\"  moleculeRefs=\"m4\"/>\n" + 
        "      <peak xValue=\"189.058\" xUnits=\"units:mz\" yValue=\"189.058\" yUnits=\"units:cps\" id=\"p9\"  moleculeRefs=\"m3\"/>\n" + 
        "      <peak xValue=\"255.067\" xUnits=\"units:mz\" yValue=\"255.067\" yUnits=\"units:cps\" id=\"p10\"                  />\n" + 
        "      <peak xValue=\"273.076\" xUnits=\"units:mz\" yValue=\"273.076\" yUnits=\"units:cps\" id=\"p11\" moleculeRefs=\"m1\"/>\n" + 
        "      <peak xValue=\"274.081\" xUnits=\"units:mz\" yValue=\"274.081\" yUnits=\"units:cps\" id=\"p12\"                  />\n" + 
        "    </peakList>\n" + 
        "  </spectrum>\n" + 
        "  <reactionList>\n" + 
        "    <reaction id=\"reaction-1232986253168\">\n" + 
        "      <reactantList>\n" + 
        "        <reactant>\n" + 
        "          <cml:molecule id=\"m1\" xmlns:cml=\"http://www.xml-cml.org/schema\">\n" + 
        "            <atomArray>\n" + 
        "              <cml:atom id=\"a0\" elementType=\"C\" x2=\"237.40779275749708\" y2=\"554.0825373775117\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a2\" elementType=\"C\" x2=\"206.1389752139794\" y2=\"536.0294771515205\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a7\" elementType=\"C\" x2=\"237.40779275749708\" y2=\"590.1886578294943\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a8\" elementType=\"C\" x2=\"174.8701576704617\" y2=\"554.0825373775117\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a1\" elementType=\"C\" x2=\"206.1389752139794\" y2=\"608.2417180554855\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a12\" elementType=\"C\" x2=\"268.67661030101476\" y2=\"608.2417180554855\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a3\" elementType=\"C\" x2=\"174.8701576704617\" y2=\"590.1886578294943\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a15\" elementType=\"O\" x2=\"143.6013401269439\" y2=\"536.0294771515205\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a6\" elementType=\"C\" x2=\"268.67661030101476\" y2=\"644.3478385074683\" formalCharge=\"0\" hydrogenCount=\"2\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a19\" elementType=\"O\" x2=\"299.94542784453256\" y2=\"590.1886578294943\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a11\" elementType=\"C\" x2=\"299.94542784453256\" y2=\"662.4008987334593\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a13\" elementType=\"C\" x2=\"331.21424538805\" y2=\"608.2417180554855\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a14\" elementType=\"C\" x2=\"331.21424538805\" y2=\"644.3478385074683\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a18\" elementType=\"O\" x2=\"299.94542784453256\" y2=\"698.507019185442\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a5\" elementType=\"C\" x2=\"362.4830629315678\" y2=\"590.1886578294943\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a10\" elementType=\"C\" x2=\"362.4830629315678\" y2=\"662.4008987334593\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a9\" elementType=\"C\" x2=\"393.7518804750854\" y2=\"608.2417180554855\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a4\" elementType=\"C\" x2=\"393.7518804750854\" y2=\"644.3478385074683\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a17\" elementType=\"O\" x2=\"362.4830629315678\" y2=\"698.507019185442\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a16\" elementType=\"O\" x2=\"425.0206980186032\" y2=\"590.1886578294943\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "            </atomArray>\n" + 
        "            <bondArray>\n" + 
        "              <cml:bond id=\"b1\" atomRefs2=\"a2 a0\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b2\" atomRefs2=\"a7 a0\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b3\" atomRefs2=\"a8 a2\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b4\" atomRefs2=\"a7 a1\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b5\" atomRefs2=\"a12 a7\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b6\" atomRefs2=\"a8 a3\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b7\" atomRefs2=\"a15 a8\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b8\" atomRefs2=\"a8 a3\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b9\" atomRefs2=\"a3 a1\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b10\" atomRefs2=\"a12 a6\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b11\" atomRefs2=\"a19 a12\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b12\" atomRefs2=\"a11 a6\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b13\" atomRefs2=\"a19 a13\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b14\" atomRefs2=\"a14 a11\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b15\" atomRefs2=\"a18 a11\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b16\" atomRefs2=\"a13 a5\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b17\" atomRefs2=\"a14 a13\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b18\" atomRefs2=\"a14 a10\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b19\" atomRefs2=\"a9 a5\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b20\" atomRefs2=\"a10 a4\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b21\" atomRefs2=\"a17 a10\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b22\" atomRefs2=\"a9 a4\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b23\" atomRefs2=\"a16 a9\" order=\"S\"/>\n" + 
        "            </bondArray>\n" + 
        "          </cml:molecule>\n" + 
        "        </reactant>\n" + 
        "      </reactantList>\n" + 
        "      <productList>\n" + 
        "        <product>\n" + 
        "          <cml:molecule id=\"m3\" xmlns:cml=\"http://www.xml-cml.org/schema\">\n" + 
        "            <atomArray>\n" + 
        "              <cml:atom id=\"a20\" elementType=\"C\" x2=\"760.9234613918118\" y2=\"360.0667039527788\" formalCharge=\"1\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a21\" elementType=\"C\" x2=\"792.2593505698068\" y2=\"341.97491146526716\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a22\" elementType=\"O\" x2=\"760.9234613918118\" y2=\"396.25028892780256\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a23\" elementType=\"C\" x2=\"792.2593505698068\" y2=\"305.79132649024336\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a24\" elementType=\"C\" x2=\"823.5952397478017\" y2=\"360.0667039527788\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a25\" elementType=\"C\" x2=\"823.5952397478017\" y2=\"287.69953400273147\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a70\" elementType=\"O\" x2=\"769.3198638396577\" y2=\"292.7250273954715\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a26\" elementType=\"C\" x2=\"854.9311289257965\" y2=\"341.97491146526716\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a27\" elementType=\"O\" x2=\"823.5952397478017\" y2=\"396.25028892780256\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a28\" elementType=\"C\" x2=\"854.9311289257965\" y2=\"305.79132649024336\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a29\" elementType=\"O\" x2=\"886.2671186137493\" y2=\"287.69953400273147\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a30\" elementType=\"C\" x2=\"532.4101484125163\" y2=\"311.8219318816122\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a31\" elementType=\"C\" x2=\"501.074256780464\" y2=\"293.73013797724917\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a32\" elementType=\"C\" x2=\"532.4101484125163\" y2=\"348.0055196903383\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a33\" elementType=\"C\" x2=\"469.73836514841184\" y2=\"311.8219318816122\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a34\" elementType=\"C\" x2=\"501.074256780464\" y2=\"366.0973135947015\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a35\" elementType=\"C\" x2=\"563.7461405545345\" y2=\"366.0973135947015\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a36\" elementType=\"C\" x2=\"469.73836514841184\" y2=\"348.0055196903383\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a37\" elementType=\"O\" x2=\"438.4024735163598\" y2=\"293.73013797724917\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a38\" elementType=\"C\" x2=\"563.7461405545345\" y2=\"402.2809014034276\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a39\" elementType=\"C\" x2=\"595.0820321865865\" y2=\"420.3726953077909\" formalCharge=\"1\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a40\" elementType=\"O\" x2=\"595.0820321865865\" y2=\"456.55628311651697\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"16\"/>\n" + 
        "            </atomArray>\n" + 
        "            <bondArray>\n" + 
        "              <cml:bond id=\"b24\" atomRefs2=\"a21 a20\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b25\" atomRefs2=\"a22 a20\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b26\" atomRefs2=\"a21 a23\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b27\" atomRefs2=\"a21 a24\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b28\" atomRefs2=\"a23 a25\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b80\" atomRefs2=\"a70 a23\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b29\" atomRefs2=\"a24 a26\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b30\" atomRefs2=\"a27 a24\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b31\" atomRefs2=\"a28 a25\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b32\" atomRefs2=\"a28 a26\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b33\" atomRefs2=\"a29 a28\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b34\" atomRefs2=\"a31 a30\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b35\" atomRefs2=\"a32 a30\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b36\" atomRefs2=\"a33 a31\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b37\" atomRefs2=\"a32 a34\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b38\" atomRefs2=\"a35 a32\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b39\" atomRefs2=\"a33 a36\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b40\" atomRefs2=\"a37 a33\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b41\" atomRefs2=\"a33 a36\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b42\" atomRefs2=\"a36 a34\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b43\" atomRefs2=\"a35 a38\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b44\" atomRefs2=\"a39 a38\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b45\" atomRefs2=\"a40 a39\" order=\"D\"/>\n" + 
        "            </bondArray>\n" + 
        "          </cml:molecule>\n" + 
        "        </product>\n" + 
        "        <product>\n" + 
        "          <cml:molecule id=\"m4\" xmlns:cml=\"http://www.xml-cml.org/schema\">\n" + 
        "            <atomArray>\n" + 
        "              <cml:atom id=\"a41\" elementType=\"C\" x2=\"920.9213112707054\" y2=\"626.3117384321058\" formalCharge=\"0\" hydrogenCount=\"2\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a42\" elementType=\"C\" x2=\"920.9213112707054\" y2=\"662.4178581035585\" formalCharge=\"0\" hydrogenCount=\"2\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a43\" elementType=\"O\" x2=\"952.1901135591752\" y2=\"608.2586785963795\" formalCharge=\"1\" hydrogenCount=\"0\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a44\" elementType=\"C\" x2=\"952.1901135591752\" y2=\"680.4709179392848\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a45\" elementType=\"C\" x2=\"983.4589158476449\" y2=\"626.3117384321058\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a46\" elementType=\"C\" x2=\"983.4589158476449\" y2=\"662.4178581035585\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a47\" elementType=\"O\" x2=\"952.1901135591752\" y2=\"716.5770376107373\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a48\" elementType=\"C\" x2=\"1014.727718136115\" y2=\"608.2586785963795\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a49\" elementType=\"C\" x2=\"1014.727718136115\" y2=\"680.4709179392848\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a50\" elementType=\"C\" x2=\"1045.9965204245846\" y2=\"626.3117384321058\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a51\" elementType=\"C\" x2=\"1045.9965204245846\" y2=\"662.4178581035585\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a52\" elementType=\"O\" x2=\"1014.727718136115\" y2=\"716.5770376107373\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a53\" elementType=\"O\" x2=\"1077.2653227130545\" y2=\"608.2586785963795\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "            </atomArray>\n" + 
        "            <bondArray>\n" + 
        "              <cml:bond id=\"b46\" atomRefs2=\"a41 a42\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b47\" atomRefs2=\"a43 a41\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b48\" atomRefs2=\"a44 a42\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b49\" atomRefs2=\"a43 a45\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b50\" atomRefs2=\"a43 a45\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b51\" atomRefs2=\"a43 a45\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b52\" atomRefs2=\"a46 a44\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b53\" atomRefs2=\"a47 a44\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b54\" atomRefs2=\"a45 a48\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b55\" atomRefs2=\"a46 a45\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b56\" atomRefs2=\"a46 a49\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b57\" atomRefs2=\"a50 a48\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b58\" atomRefs2=\"a49 a51\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b59\" atomRefs2=\"a52 a49\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b60\" atomRefs2=\"a50 a51\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b61\" atomRefs2=\"a53 a50\" order=\"S\"/>\n" + 
        "            </bondArray>\n" + 
        "          </cml:molecule>\n" + 
        "        </product>\n" + 
        "        <product>\n" + 
        "          <cml:molecule id=\"m5\" xmlns:cml=\"http://www.xml-cml.org/schema\">\n" + 
        "            <atomArray>\n" + 
        "              <cml:atom id=\"a54\" elementType=\"C\" x2=\"860.8859901706775\" y2=\"518.2734129456865\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a55\" elementType=\"C\" x2=\"829.6171895501534\" y2=\"500.2203540729495\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a56\" elementType=\"C\" x2=\"860.8859901706775\" y2=\"554.3795306911602\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a57\" elementType=\"C\" x2=\"798.3483889296294\" y2=\"518.2734129456865\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a58\" elementType=\"C\" x2=\"829.6171895501534\" y2=\"572.4325895638972\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a59\" elementType=\"C\" x2=\"798.3483889296294\" y2=\"554.3795306911602\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a60\" elementType=\"O\" x2=\"767.0795883091055\" y2=\"500.2203540729495\" formalCharge=\"1\" hydrogenCount=\"2\" isotopeNumber=\"16\"/>\n" + 
        "            </atomArray>\n" + 
        "            <bondArray>\n" + 
        "              <cml:bond id=\"b62\" atomRefs2=\"a55 a54\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b63\" atomRefs2=\"a56 a54\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b64\" atomRefs2=\"a57 a55\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b65\" atomRefs2=\"a56 a58\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b66\" atomRefs2=\"a57 a59\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b67\" atomRefs2=\"a60 a57\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b68\" atomRefs2=\"a57 a59\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b69\" atomRefs2=\"a59 a58\" order=\"D\"/>\n" + 
        "            </bondArray>\n" + 
        "          </cml:molecule>\n" + 
        "        </product>\n" + 
        "        <product>\n" + 
        "          <cml:molecule id=\"m6\" xmlns:cml=\"http://www.xml-cml.org/schema\">\n" + 
        "            <atomArray>\n" + 
        "              <cml:atom id=\"a61\" elementType=\"C\" x2=\"895.8064018615721\" y2=\"672.053058872737\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a62\" elementType=\"C\" x2=\"864.5376012410479\" y2=\"654.0\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a63\" elementType=\"C\" x2=\"895.8064018615721\" y2=\"708.1591766182107\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a64\" elementType=\"C\" x2=\"833.268800620524\" y2=\"672.053058872737\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a65\" elementType=\"C\" x2=\"864.5376012410479\" y2=\"726.2122354909477\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a66\" elementType=\"C\" x2=\"927.0753027768675\" y2=\"726.2122354909477\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a67\" elementType=\"C\" x2=\"833.268800620524\" y2=\"708.1591766182107\" formalCharge=\"0\" hydrogenCount=\"0\" isotopeNumber=\"12\"/>\n" + 
        "              <cml:atom id=\"a68\" elementType=\"O\" x2=\"802.0\" y2=\"654.0\" formalCharge=\"0\" hydrogenCount=\"1\" isotopeNumber=\"16\"/>\n" + 
        "              <cml:atom id=\"a69\" elementType=\"C\" x2=\"927.0753027768675\" y2=\"762.318453531193\" formalCharge=\"1\" hydrogenCount=\"1\" isotopeNumber=\"12\"/>\n" + 
        "            </atomArray>\n" + 
        "            <bondArray>\n" + 
        "              <cml:bond id=\"b70\" atomRefs2=\"a62 a61\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b71\" atomRefs2=\"a63 a61\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b72\" atomRefs2=\"a64 a62\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b73\" atomRefs2=\"a63 a65\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b74\" atomRefs2=\"a66 a63\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b75\" atomRefs2=\"a64 a67\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b76\" atomRefs2=\"a68 a64\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b77\" atomRefs2=\"a64 a67\" order=\"S\"/>\n" + 
        "              <cml:bond id=\"b78\" atomRefs2=\"a67 a65\" order=\"D\"/>\n" + 
        "              <cml:bond id=\"b79\" atomRefs2=\"a66 a69\" order=\"D\"/>\n" + 
        "            </bondArray>\n" + 
        "          </cml:molecule>\n" + 
        "        </product>\n" +
        "      </productList>\n" + 
        "      <substanceList/>\n" + 
        "    </reaction>\n" + 
        "  </reactionList>\n" + 
        "  <list dictRef=\"cdk:moleculeSet\"/>\n" + 
        "</list>\n";


